(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione

C21H21ClN2O3 — CID 126021869

IUPAC(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione
SMILESCC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-3-14(2)27-19-10-9-16(11-17(19)22)12-18-20(25)24(21(26)23-18)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,23,26)/b18-12-/t14-/m1/s1
InChIKeyZGZXLOJFEYAJSO-IIMQCXAKSA-N
MW384.86 g/mol
LogP4.61
Rot. Bonds6

About (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126021869) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126021869
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione
SMILESCC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-3-14(2)27-19-10-9-16(11-17(19)22)12-18-20(25)24(21(26)23-18)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,23,26)/b18-12-/t14-/m1/s1
InChIKeyZGZXLOJFEYAJSO-IIMQCXAKSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126226670
(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126235832
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
(5E)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126229691
(5E)-5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126236432
(5E)-5-[[3-bromo-4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126250665
(5E)-5-[[3-bromo-4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241458
(5Z)-3-benzyl-5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126361054
2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126024998
(5E)-5-[(4-butan-2-yloxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6394403
3-[[4-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid
CID 126250260

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione (CID 126021869) is (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione is CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Cl.
What is the InChIKey of (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is ZGZXLOJFEYAJSO-IIMQCXAKSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-14(2)27-19-10-9-16(11-17(19)22)12-18-20(25)24(21(26)23-18)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,23,26)/b18-12-/t14-/m1/s1.
What are the key properties of (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 384.86 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126021869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).